Three-dimensional structural investigation of bis(dimethyldithiocarbamato)nitrosylcobalt: CoNO(S2CNMe2)2

Abstract

The structure of the title compound has been redetermined by single-crystal X-ray difraction from three-dimensional data collected by counter methods. The compound crystallizes in the monoclinic space-group P2₁/c with a= 6·408(4), b= 13·514(8), c= 16·821(9)Å, β= 116·66(3)°, and Z= 4. The structure was refined by full-matrix least-squares methods to R 0·035 for 1209 independent reflections. The co-ordination geometry about the cobalt is a tetragonal pyramid with the NO group at the apex. The Co atom is 0·52 Å above the basal plane formed by the four S atoms, and the nitrosyl group is disordered such that the O atom alternately lies above one or the other of the Co–S bonds of the same dithiocarbamate ligand. Co–N is 1·746(7)Å and Co–S (mean) 2·263(4)Å. An improved synthesis of this compound and its solution n.m.r. spectrum are reported.